N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide

C21H23N3O5 — CID 9374401

IUPACN-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C21H23N3O5/c1-28-17-12-16(23-21(27)14-7-4-3-5-8-14)18(29-2)11-15(17)22-19(25)13-24-10-6-9-20(24)26/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyGADQKBHLAYXPPI-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.52
Rot. Bonds7

About N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 9374401) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID9374401
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C21H23N3O5/c1-28-17-12-16(23-21(27)14-7-4-3-5-8-14)18(29-2)11-15(17)22-19(25)13-24-10-6-9-20(24)26/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyGADQKBHLAYXPPI-UHFFFAOYSA-N
XLogP2.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 16576405
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
CID 26705081
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide (CID 9374401) is N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is GADQKBHLAYXPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-28-17-12-16(23-21(27)14-7-4-3-5-8-14)18(29-2)11-15(17)22-19(25)13-24-10-6-9-20(24)26/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 397.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 9374401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).